N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide

C14H26N2OS — CID 43595694

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-18-10-6-13(17)16-12-5-9-15-14(11-12)7-3-2-4-8-14/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyAHCWKZWTLMINSC-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.31
Rot. Bonds4

About N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide

N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide (PubChem CID 43595694) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide
PubChem CID43595694
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-18-10-6-13(17)16-12-5-9-15-14(11-12)7-3-2-4-8-14/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyAHCWKZWTLMINSC-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide (CID 43595694) is N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide is CSCCC(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide?
The InChIKey is AHCWKZWTLMINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-10-6-13(17)16-12-5-9-15-14(11-12)7-3-2-4-8-14/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide?
N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide has a molecular weight of 270.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 43595694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).